N-methyl-N-[2-(4-phenethylpiperazin-4-ium-1-yl)carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-methyl-N-[2-(4-phenethylpiperazin-4-ium-1-yl)carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-methyl-N-[2-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-carboxamide CAS Name: N-methyl-N-[2-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-methyl-N-[2-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-carboxamide Traditional Name: N-methyl-N-[2-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O2S/c1-26(25(30)23-12-7-19-31-23)22-11-6-5-10-21(22)24(29)28-17-15-27(16-18-28)14-13-20-8-3-2-4-9-20/h2-12,19H,13-18H2,1H3/p+1